SCHEMBL4577144

SCHEMBL4577144

CC(=O)O[C@@H](Br)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.48
XIAP P98170 1/20 0.48
SLC7A5 Q01650 1/20 0.48
CYP1A2 P05177 1/20 0.47
SRR Q9GZT4 2/20 0.44
TSHR P16473 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CTRB1 P17538 4/20 0.44
ALPL P05186 1/20 0.43
POLB P06746 1/20 0.43
ALPG P10696 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
MDM2 Q00987 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4577844 1.00 ALDH1A1 (0.48) ALDH1A1ALPIPKMPTGS1XIAP
SCHEMBL31553563 0.82 ALDH1A1 (0.53) ALDH1A1ALPIPKMPTGS1XIAP
SCHEMBL31360808 0.81 SRR (0.49) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9028692 0.81 ALDH1A1 (0.52) ALDH1A1ALPIPKMPTGS1XIAP
SCHEMBL5617244 0.81 ALDH1A1 (0.52) ALDH1A1ALPIPKMPTGS1XIAP
SCHEMBL3505882 0.81 ALDH1A1 (0.52) ALDH1A1ALPIPKMPTGS1XIAP
SCHEMBL8467355 0.79 ALDH1A1 (0.50) ALDH1A1ALPIPKMPTGS1XIAP
SCHEMBL1786356 0.79 ALPI (0.44) ALDH1A1ALPIPKMPTGS1XIAP
SCHEMBL8921434 0.79 ALDH1A1 (0.46) ALDH1A1ALPIPKMPTGS1XIAP
SCHEMBL9153847 0.78 FOLH1 (0.44) ALDH1A1PTGS1CYP1A2TSHRLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954815-A2 PRODUCTION OF GLYCOPROTEINS WITH REDUCED O-GLYCOSYLATION Glycofi, Inc. (US) 2008-08-13 EP disclosed
WO-2007061631-A2 PRODUCTION OF GLYCOPROTEINS WITH REDUCED O-GLYCOSYLATION GLYCOFI, INC (US) 2007-05-31 WO disclosed